Cheminformatic Tools and Databases for Pharmacology

session 62088 - Total of 2 hits - Display   hits per page:

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1 INNClassRoute (list)PK parameters= Cmax; Tmax; F: bioavailability; t1/2: half-life; VD: volume of distribution; Cl: clearance; PPB: plasma protein binding;(EQN means that value was calculated using VD=(Cl*t1/2)/0.693)Primary Target and PDB code of Protein-Drug complexTargets from DrugCentral Links
ETOPOSIDE (is an active metabolite)

ETOPOSIDE


ATC L01CB01

ANTINEOPLASTIC
NUCLEIC ACID SYNTHESIS INHIBITORS
INDUCTION OF DNA STRAND BREAKS BY AN INTERACTION WITH DNA-TOPOISOMERASE II OR THE FORMATION OF FREE RADICALS

INJECTION ORAL

Cmax 34 MICROMOLAR

VD 23.5 LITER

PPB 88 PERCENT

Cl 2.4 LITER / HOUR

HT 7.5 HOUR

DNA TOPOISOMERASE 2

PDB 5CDN (2.8A STRUCTURE OF ETOPOSIDE WITH S.AUREUS DNA GYRASE AND DNA)

LIGAND CODE = EVP (link to the list of PDB complexes)

Download experimental 3D coordinates of EVP with added hydrogens

DNA TOPOISOMERASE II INHIBITOR CHEMBL2094255 DNA TOPOISOMERASE II P11388 DNA TOPOISOMERASE 2-ALPHA HOMO SAPIENS ENZYME ISOMERASEANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank

2 INNClassRoute (list)PK parameters= Cmax; Tmax; F: bioavailability; t1/2: half-life; VD: volume of distribution; Cl: clearance; PPB: plasma protein binding;(EQN means that value was calculated using VD=(Cl*t1/2)/0.693)Primary Target and PDB code of Protein-Drug complexTargets from DrugCentral Links
ETOPOSIDE PHOSPHATE (has an active metabolite)

ETOPOSIDE PHOSPHATE


ATC L01CB01

ANTINEOPLASTIC
NUCLEIC ACID SYNTHESIS INHIBITORS
INDUCTION OF DNA STRAND BREAKS BY AN INTERACTION WITH DNA-TOPOISOMERASE II OR THE FORMATION OF FREE RADICALS

INJECTION

SOLUBILITY WATER SOLUBLE ESTER OF ETOPOSIDE

DNA TOPOISOMERASE 2

DNA TOPOISOMERASE II ALPHA INHIBITOR CHEMBL1806 DNA TOPOISOMERASE II ALPHA P11388 DNA TOPOISOMERASE 2-ALPHA HOMO SAPIENS ENZYME ISOMERASEANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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